Brightway Flows 1.0
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Isophthalic Acid

fo-57e28a10f7ca5b7d

Identity

Type
Neutral molecule
CAS
121-91-5
EC
204-506-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Isophthalic Acid

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QQVIHTHCMHWDBS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
IUPAC name chemrof:IUPAC_name Isophthalic Acid
Molecular formula chemrof:molecular_formula C8H6O4
Molecular mass chemrof:molecular_mass 166.132
Monoisotopic mass chemrof:monoisotopic_mass 166.026609, 166.02661
SMILES string chemrof:smiles_string O=C(O)c1cccc(C(=O)O)c1

Known URLs

21

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=121-91-5 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26776-13-6 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30802 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.098 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0500 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021485 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=15310 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1871181 enrich_references.pubchem_identifier_url
gmelin gmelin:27618 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X35216H9FJ enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2917.39.15.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.490B enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C22203 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54253 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD0-1267 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8496 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018124 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24101250 enrich_references.chebi_xrefs
reaxys reaxys:1909332 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q415253 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isophthalic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c3dff7c1-6175-4cb0-8fab-7783c9bab678 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
292342d3-13c8-4474-8ab7-d92bb534b09e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4b75b94f-8f22-4436-b2cf-6fba68b577d4 Environmental → Air → Indoor EF 3.1 kg 4
3f2351a1-d68c-4460-9328-db2b58877ba4 Environmental → Air → Long-term EF 3.1 kg 0
6544107b-0d34-497f-9ccd-8b63ddcacf43 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ab15667f-3053-466a-8a13-d7d0541c3f08 Environmental → Air → Unknown EF 3.1 kg 4
8ae71e1c-d5e8-4eb2-8682-3bec132a835a Environmental → Ground → Agricultural EF 3.1 kg 4
b3cbde18-85d2-476f-b7b5-852c9dd669f3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e2a4e3d4-bd6e-49a1-a041-97a6c1da2ab0 Environmental → Ground → Unknown EF 3.1 kg 4
3a8d3405-ec88-43dd-8d88-71f3b322593b Environmental → Water → Long-term EF 3.1 kg 0
f162a110-e6ce-472b-bd6c-adac72f250ba Environmental → Water → Ocean EF 3.1 kg 4
476883bf-75d5-4663-9027-903b50a5242e Environmental → Water → Surface water EF 3.1 kg 4
0633a30e-0d2e-4f72-bbd6-afbd05155a41 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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